2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile

C24H19N3O — CID 52933502

IUPAC2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile
SMILESN#Cc1cccc2c(-c3ccccc3)c(-c3ccc(C4(N)CNC4)cc3)oc12
InChIInChI=1S/C24H19N3O/c25-13-18-7-4-8-20-21(16-5-2-1-3-6-16)23(28-22(18)20)17-9-11-19(12-10-17)24(26)14-27-15-24/h1-12,27H,14-15,26H2
InChIKeyHGGHKISBVVHTJG-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.40
Rot. Bonds3

About 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile

2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile (PubChem CID 52933502) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile
PubChem CID52933502
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile
SMILESN#Cc1cccc2c(-c3ccccc3)c(-c3ccc(C4(N)CNC4)cc3)oc12
InChIInChI=1S/C24H19N3O/c25-13-18-7-4-8-20-21(16-5-2-1-3-6-16)23(28-22(18)20)17-9-11-19(12-10-17)24(26)14-27-15-24/h1-12,27H,14-15,26H2
InChIKeyHGGHKISBVVHTJG-UHFFFAOYSA-N
XLogP4.40
TPSA74.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[1-[4-(7-cyano-3-phenyl-1-benzofuran-2-yl)phenyl]cyclobutyl]carbamic acid
CID 67207100
3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride
CID 166608947
1-[4-(3-phenylfuro[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 52933258
3-phenyl-1-benzofuran-7-carbonitrile
CID 21319918
7-iodo-2,3-diphenyl-1-benzofuran
CID 633887
7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran
CID 58239715
4-[3-[4-(1-aminocyclobutyl)phenyl]-4-oxo-2-phenylchromen-8-yl]piperazin-2-one
CID 51030232
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylfuro[2,3-b]pyridin-5-amine;trihydrochloride
CID 131740571
2-(2-phenyl-1-benzofuran-3-yl)benzonitrile
CID 154714478
3-[4-(1-aminocyclobutyl)phenyl]-2-phenyl-8-(1H-pyrazol-4-yl)chromen-4-one;hydrochloride
CID 67067845
7-[4-(1-aminocyclobutyl)phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 51030518
3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
CID 67067831

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile?
The IUPAC name of 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile (CID 52933502) is 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile?
The canonical SMILES for 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile is N#Cc1cccc2c(-c3ccccc3)c(-c3ccc(C4(N)CNC4)cc3)oc12.
What is the InChIKey of 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile?
The InChIKey is HGGHKISBVVHTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c25-13-18-7-4-8-20-21(16-5-2-1-3-6-16)23(28-22(18)20)17-9-11-19(12-10-17)24(26)14-27-15-24/h1-12,27H,14-15,26H2.
What are the key properties of 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile?
2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 52933502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).